diethyl 2-acetamido-2-[(7-fluoranyl-4-oxidanylidene-2,3-dihydrothieno[2,3-b]thiochromen-2-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(7-fluoranyl-4-oxidanylidene-2,3-dihydrothieno[2,3-b]thiochromen-2-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(7-fluoro-4-oxo-2,3-dihydrothieno[2,3-b]thiochromen-2-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(7-fluoro-4-oxo-2,3-dihydrothieno[2,3-b]thiochromen-2-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(7-fluoro-4-oxo-2,3-dihydrothieno[2,3-b]thiochromen-2-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(7-fluoro-4-keto-2,3-dihydrothieno[2,3-b]thiochromen-2-yl)methyl]malonic acid diethyl ester Formula: C21H22FNO6S2 MolecularWeight: 467.530883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CC2=C(S1)SC3=C(C2=O)C=CC(=C3)F)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1CC2=C(S1)SC3=C(C2=O)C=CC(=C3)F)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H22FNO6S2/c1-4-28-19(26)21(23-11(3)24,20(27)29-5-2)10-13-9-15-17(25)14-7-6-12(22)8-16(14)31-18(15)30-13/h6-8,13H,4-5,9-10H2,1-3H3,(H,23,24)